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Target
Metalloproteinase inhibitor 3
Ligand
BDBM50073900
Substrate
n/a
Meas. Tech.
ChEBML_104705
IC50
77±n/a nM
Citation
 Fink, CA; Carlson, JE; Boehm, C; McTaggart, P; Qiao, Y; Doughty, J; Ganu, V; Melton, R; Goldberg, R Design and synthesis of thiol containing inhibitors of matrix metalloproteinases. Bioorg Med Chem Lett 9:195-200 (1999) [PubMed]  Article 
Target
Name:
Metalloproteinase inhibitor 3
Synonyms:
TIMP3_RAT | Timp-3 | Timp3 | Tissue inhibitor of metalloproteinases 3 | Tissue inhibitor of metalloproteinases-3
Type:
PROTEIN
Mol. Mass.:
24241.51
Organism:
Rattus norvegicus
Description:
ChEMBL_10750
Residue:
211
Sequence:
MTPWLGLVVLLSCWSLGHWGTEACTCSPSHPQDAFCNSDIVIRAKVVGKKLVKEGPFGTLVYTIKQMKMYRGFSKMPHVQYIHTEASESLCGLKLEVNKYQYLLTGRVYEGKMYTGLCNFVERWDHLTLSQRKGLNYRYHLGCNCKIKSCYYLPCFVTSKKECLWTDMLSNFGYPGYQSKHYACIRQKGGYCSWYRGWAPPDKSISNATDP
  
Inhibitor
Name:
BDBM50073900
Synonyms:
4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic acid [(S)-1-(4-dimethylamino-phenylcarbamoyl)-2-phenyl-ethyl]-amide | CHEMBL299265
Type:
Small organic molecule
Emp. Form.:
C27H37N3O3S
Mol. Mass.:
483.666
SMILES:
CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)N(C)C |wU:6.11,14.14,3.2,wD:6.6,(-5,-12.03,;-5,-10.49,;-3.68,-9.73,;-3.68,-8.19,;-4.99,-7.42,;-4.99,-5.88,;-3.68,-5.11,;-5,-4.34,;-5,-2.8,;-2.33,-5.88,;-2.33,-7.42,;-2.33,-4.34,;-2.33,-2.8,;-.99,-5.11,;.33,-4.34,;.33,-2.8,;1.09,-1.45,;2.63,-1.44,;3.38,-.07,;2.58,1.24,;1.04,1.21,;.3,-.14,;1.67,-5.11,;1.67,-6.65,;2.99,-4.34,;4.33,-5.11,;5.66,-4.33,;6.99,-5.11,;6.97,-6.65,;5.63,-7.42,;4.31,-6.65,;8.32,-7.44,;9.66,-6.67,;8.31,-8.98,)|
Structure:
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